SCHEMBL11746004

SCHEMBL11746004

Clc1cccc2sc3nncn3c12

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.67
TNKS2 Q9H2K2 17/20 0.61
PARP2 Q9UGN5 16/20 0.61
PARP15 Q460N3 16/20 0.61
PARP10 Q53GL7 14/20 0.61
PARP14 Q460N5 2/20 0.46
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
PARP11 Q9NR21 1/20 0.43
PARP4 Q9UKK3 1/20 0.43
PARP3 Q9Y6F1 1/20 0.43
TSHR P16473 1/20 0.36
PSMB8 P28062 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Tricyclazole SCHEMBL14721539 0.80 BRPF1 (1.00) BRPF1TNKS2PARP2PARP15PARP10
SCHEMBL11743096 0.80 BRPF1 (0.67) BRPF1TNKS2PARP2PARP15PARP10
SCHEMBL11748517 0.77 TNKS2 (0.58) BRPF1TNKS2PARP2PARP15PARP10
SCHEMBL11749623 0.71 CHEK1 (0.41) BRPF1TNKS2PARP2PARP15PARP10
SCHEMBL11535133 0.69 BRPF1 (0.42) BRPF1TNKS2PARP2PARP15PARP10
SCHEMBL17620981 0.68 MAPK1 (0.40) TSHRPSMB8
Bromide SCHEMBL11744403 0.68 CHEK1 (0.57) BRPF1TNKS2PARP2PARP15PARP10
SCHEMBL11743911 0.67 TNKS2 (0.49) BRPF1TNKS2PARP2PARP15PARP10
SCHEMBL11532503 0.66 CHEK1 (0.36) BRPF1TSHR
SCHEMBL673415 0.60 TNKS2 (1.00) BRPF1TNKS2PARP2PARP15PARP10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4064261-A TRIAZOLOBENOXAZOLE, TRIAZOLOBENZOTHIAZOLE COMPOUNDS ELI LILLY AND COMPANY (US) 1977-12-20 US claimed
US-4064261-A TRIAZOLOBENOXAZOLE, TRIAZOLOBENZOTHIAZOLE COMPOUNDS ELI LILLY AND COMPANY (US) 1977-12-20 US disclosed